摘要
在紧束缚近似基础上,应用扩展的Su Schriffer Heeger(SSH)模型,在实空间研究了1根完整"之之"碳管管壁中沿周长方向并排引入2个五边形 七边形拓扑缺陷对所形成的同质结的电学性能;计算了(9,0)-(9,0)和(8,0)-(8,0)系统的电子态密度,对五边形 七边形缺陷对在碳管中沿轴向依次排列和沿周长方向并排放置时的电子态密度进行了比较.研究结果表明:五边形 七边形(5/7)拓扑缺陷对决定费米能级附近的电学行为;拓扑缺陷不同的分布与排列方式对碳管电学性能的影响有明显差异.
In the real space, the features of energetics and electronic properties of carbon nanotubes containing two pentagonheptagon pairs (5/7) topological defects in the perfect hexagonal network of the zigzag configuration are studied using the extended SuSchrifferHeeger model. The densities of states of the (9,0)-(9,0),(8,0)-(8,0),(10,0)-(8,0),(9,0)-(6,0)system are calculated. In addition, the properties of nanotube in different arrangements of pentagonheptagon pairs along the circumference or axis of nanotubes are compared. The results show that topological defects govern the electronic behavior around Fermi lever and the effects of different arrangement of pentagonheptagon pairs on carbon nanotube are remarkable.
出处
《中南工业大学学报》
CSCD
北大核心
2003年第5期510-512,共3页
Journal of Central South University of Technology(Natural Science)
基金
国家自然科学基金资助项目(0JJY2013)
湖南省自然科学基金资助项目(02JJY2013)
关键词
碳纳米管
拓扑缺陷
电子态密度
同质结
异质结
carbon nanotube
topological defect
densities of states of the electronic
homojuction
heterojuction
